SCHEMBL18290239

SCHEMBL18290239

CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@](C)(CO)C1=C(O)C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOD1 P00441 1/20 0.47
▸ KARS1 Q15046 1/20 0.35
▸ USP7 Q93009 1/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ EED O75530 1/20 0.31
▸ SUZ12 Q15022 1/20 0.31
▸ EZH2 Q15910 1/20 0.31
▸ HIF1A Q16665 3/20 0.31
▸ EPAS1 Q99814 2/20 0.31
▸ FDPS P14324 2/20 0.30
▸ LMNA P02545 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ PAX8 Q06710 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18290301 1.00 SOD1 (0.47) SOD1KARS1USP7IDO1EED
SCHEMBL3186292 0.86 SOD1 (0.43) SOD1KARS1USP7IDO1HIF1A
SCHEMBL18290356 0.78 SOD1 (0.38) SOD1KARS1IDO1HIF1AEPAS1
SCHEMBL19915508 0.77 SOD1 (0.42) SOD1KARS1USP7HIF1AEPAS1
SCHEMBL16006738 0.73 FDPS (0.36) SOD1IDO1FDPSMAPTGGPS1
SCHEMBL17403057 0.71 CACNA1G (0.44) SOD1KARS1USP7HIF1AEPAS1
14-Deoxycoleon U SCHEMBL17403056 0.68 FDPS (0.43) SOD1FDPSTP53CYP3A4MAPT
SCHEMBL18290213 0.67 SOD1 (0.41) SOD1KARS1USP7HIF1AEPAS1
Hypargenin C SCHEMBL18290364 0.66 SOD1 (0.55) SOD1KARS1FDPSTP53CYP3A4
Hypargenin C SCHEMBL13532268 0.66 SOD1 (0.55) SOD1KARS1FDPSTP53CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016192631-A1 ABIETANE-TYPE DITERPENE COMPOUND HAVING LIPID-LOWERING ACTIVITY, METHOD FOR PREPARING SAME, AND USE OF SAME 中国科学院上海药物研究所 2016-12-08 — — WO disclosed
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